4-methyl-N-[[(4-methylphenyl)carbonylamino]-(3-nitrophenyl)methyl]benzamide hydrate

Systemtic Name: 4-methyl-N-[[(4-methylphenyl)carbonylamino]-(3-nitrophenyl)methyl]benzamide hydrate Openeye Name: 4-methyl-N-[[(4-methylbenzoyl)amino]-(3-nitrophenyl)methyl]benzamide hydrate CAS Name: 4-methyl-N-[[[(4-methylphenyl)-oxomethyl]amino]-(3-nitrophenyl)methyl]benzamide hydrate IUPAC Name: 4-methyl-N-[[(4-methylbenzoyl)amino]-(3-nitrophenyl)methyl]benzamide hydrate Traditional Name: 4-methyl-N-[(3-nitrophenyl)-(p-toluoylamino)methyl]benzamide hydrate Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4.H2O/c1-15-6-10-17(11-7-15)22(27)24-21(19-4-3-5-20(14-19)26(29)30)25-23(28)18-12-8-16(2)9-13-18;/h3-14,21H,1-2H3,(H,24,27)(H,25,28);1H2