5-[bis(2-chloroethyl)amino]-N-[3-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]carbamoyl]phenyl]-2,4-dinitro-benzamide dihydrochloride

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-[3-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]carbamoyl]phenyl]-2,4-dinitro-benzamide dihydrochloride Openeye Name: 5-[bis(2-chloroethyl)amino]-N-[3-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]carbamoyl]phenyl]-2,4-dinitro-benzamide dihydrochloride CAS Name: 5-[bis(2-chloroethyl)amino]-N-[3-[[3-[[3-(dimethylamino)propylamino]-oxomethyl]anilino]-oxomethyl]phenyl]-2,4-dinitrobenzamide dihydrochloride IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-[3-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]carbamoyl]phenyl]-2,4-dinitrobenzamide dihydrochloride Traditional Name: 5-[bis(2-chloroethyl)amino]-N-[3-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]carbamoyl]phenyl]-2,4-dinitro-benzamide dihydrochloride Formula: C30H35Cl4N7O7 MolecularWeight: 747.4536

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl.Cl.Cl

Isomeric SMILES

CN(C)CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl.Cl.Cl

InChI

InChI=1S/C30H33Cl2N7O7.2ClH/c1-36(2)13-5-12-33-28(40)20-6-3-8-22(16-20)34-29(41)21-7-4-9-23(17-21)35-30(42)24-18-26(37(14-10-31)15-11-32)27(39(45)46)19-25(24)38(43)44;;/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,33,40)(H,34,41)(H,35,42);2*1H