2-methyl-N-[3-[(2-methyl-5-nitro-phenyl)carbonylamino]phenyl]-5-nitro-benzamide hydrate

Systemtic Name: 2-methyl-N-[3-[(2-methyl-5-nitro-phenyl)carbonylamino]phenyl]-5-nitro-benzamide hydrate Openeye Name: 2-methyl-N-[3-[(2-methyl-5-nitro-benzoyl)amino]phenyl]-5-nitro-benzamide hydrate CAS Name: 2-methyl-N-[3-[[(2-methyl-5-nitrophenyl)-oxomethyl]amino]phenyl]-5-nitrobenzamide hydrate IUPAC Name: 2-methyl-N-[3-[(2-methyl-5-nitrobenzoyl)amino]phenyl]-5-nitrobenzamide hydrate Traditional Name: 2-methyl-N-[3-[(2-methyl-5-nitro-benzoyl)amino]phenyl]-5-nitro-benzamide hydrate Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C.O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C.O

InChI

InChI=1S/C22H18N4O6.H2O/c1-13-6-8-17(25(29)30)11-19(13)21(27)23-15-4-3-5-16(10-15)24-22(28)20-12-18(26(31)32)9-7-14(20)2;/h3-12H,1-2H3,(H,23,27)(H,24,28);1H2