[6-aminocarbonyl-2-(3-methylphenyl)-3-nitro-phenyl] 4-nitrobenzoate

Systemtic Name: [6-aminocarbonyl-2-(3-methylphenyl)-3-nitro-phenyl] 4-nitrobenzoate Openeye Name: [6-carbamoyl-2-(m-tolyl)-3-nitro-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-carbamoyl-2-(3-methylphenyl)-3-nitrophenyl] ester IUPAC Name: [6-carbamoyl-2-(3-methylphenyl)-3-nitrophenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-carbamoyl-2-(m-tolyl)-3-nitro-phenyl] ester Formula: C21H15N3O7 MolecularWeight: 421.3597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=CC(=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=CC(=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O7/c1-12-3-2-4-14(11-12)18-17(24(29)30)10-9-16(20(22)25)19(18)31-21(26)13-5-7-15(8-6-13)23(27)28/h2-11H,1H3,(H2,22,25)