[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17N5O7 MolecularWeight: 439.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O7/c21-11-14-9-15(24(28)29)4-5-16(14)22-19(26)12-32-20(27)13-3-6-17(18(10-13)25(30)31)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,12H2,(H,22,26)