3-nitro-N-[3-[(3-nitrophenyl)carbonylamino]phenyl]benzamide hydrate

Systemtic Name: 3-nitro-N-[3-[(3-nitrophenyl)carbonylamino]phenyl]benzamide hydrate Openeye Name: 3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide hydrate CAS Name: 3-nitro-N-[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]benzamide hydrate IUPAC Name: 3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide hydrate Traditional Name: 3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide hydrate Formula: C20H16N4O7 MolecularWeight: 424.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O6.H2O/c25-19(13-4-1-8-17(10-13)23(27)28)21-15-6-3-7-16(12-15)22-20(26)14-5-2-9-18(11-14)24(29)30;/h1-12H,(H,21,25)(H,22,26);1H2