[2-methoxy-4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinylidene]methyl]phenyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-methoxy-4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinylidene]methyl]phenyl] 3,5-dimethoxybenzoate Openeye Name: [2-methoxy-4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazono]methyl]phenyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-methoxy-4-[(E)-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]phenyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-methoxy-4-[(E)-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazono]methyl]phenyl] ester Formula: C27H28N4O9S MolecularWeight: 584.59762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C27H28N4O9S/c1-37-20-13-19(14-21(15-20)38-2)27(32)40-25-9-6-18(12-26(25)39-3)17-28-29-23-8-7-22(16-24(23)31(33)34)41(35,36)30-10-4-5-11-30/h6-9,12-17,29H,4-5,10-11H2,1-3H3/b28-17+