ethyl 4-(3-nitrophenyl)-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-4-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=C(C3=CC=CC=C3)NO)N=O

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2=CC(=CC=C2)[N+](=O)[O-])N/C(=C(/C3=CC=CC=C3)\NO)/N=O

InChI

InChI=1S/C21H19N5O6/c1-2-32-21(27)17-16(14-9-6-10-15(11-14)26(30)31)12-22-19(17)23-20(25-29)18(24-28)13-7-4-3-5-8-13/h3-12,22-24,28H,2H2,1H3/b20-18+