N-[3-azanyl-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-3-keto-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitro-phenyl]propyl]-3,5-dimethyl-benzamide Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C27H30N4O5/c1-17-12-18(2)14-21(13-17)27(33)30-24(16-26(28)32)20-6-9-23(25(15-20)31(34)35)29-11-10-19-4-7-22(36-3)8-5-19/h4-9,12-15,24,29H,10-11,16H2,1-3H3,(H2,28,32)(H,30,33)