ethyl (2S)-2-methyl-1-(3-nitrophenyl)-4-[(3-nitrophenyl)amino]-5-oxidanylidene-pyrrole-2-carboxylate

Systemtic Name: ethyl (2S)-2-methyl-1-(3-nitrophenyl)-4-[(3-nitrophenyl)amino]-5-oxidanylidene-pyrrole-2-carboxylate Openeye Name: ethyl (2S)-2-methyl-4-(3-nitroanilino)-1-(3-nitrophenyl)-5-oxo-pyrrole-2-carboxylate CAS Name: (2S)-2-methyl-4-(3-nitroanilino)-1-(3-nitrophenyl)-5-oxo-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-2-methyl-4-(3-nitroanilino)-1-(3-nitrophenyl)-5-oxopyrrole-2-carboxylate Traditional Name: (2S)-5-keto-2-methyl-4-(3-nitroanilino)-1-(3-nitrophenyl)-3-pyrroline-2-carboxylic acid ethyl ester Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(C(=O)N1C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@@]1(C=C(C(=O)N1C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O7/c1-3-31-19(26)20(2)12-17(21-13-6-4-8-15(10-13)23(27)28)18(25)22(20)14-7-5-9-16(11-14)24(29)30/h4-12,21H,3H2,1-2H3/t20-/m0/s1