[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-(2,4-dinitroanilino)benzoate CAS Name: 3-(2,4-dinitroanilino)benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-(2,4-dinitroanilino)benzoate Traditional Name: 3-(2,4-dinitroanilino)benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H14N4O9 MolecularWeight: 466.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O9/c26-20(13-3-2-6-16(10-13)23(28)29)12-34-21(27)14-4-1-5-15(9-14)22-18-8-7-17(24(30)31)11-19(18)25(32)33/h1-11,22H,12H2