N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide hydrate

Systemtic Name: N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide hydrate Openeye Name: N-[1-benzyl-2-(4-nitroanilino)-2-oxo-ethyl]benzamide hydrate CAS Name: N-[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide hydrate IUPAC Name: N-[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide hydrate Traditional Name: N-[1-benzyl-2-keto-2-(4-nitroanilino)ethyl]benzamide hydrate Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4.H2O/c26-21(17-9-5-2-6-10-17)24-20(15-16-7-3-1-4-8-16)22(27)23-18-11-13-19(14-12-18)25(28)29;/h1-14,20H,15H2,(H,23,27)(H,24,26);1H2