4-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)hydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)hydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(4-morpholinosulfonyl-2-nitro-phenyl)hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(4-morpholinosulfonyl-2-nitro-phenyl)hydrazono]methyl]benzoic acid Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7S/c23-18(24)14-3-1-13(2-4-14)12-19-20-16-6-5-15(11-17(16)22(25)26)30(27,28)21-7-9-29-10-8-21/h1-6,11-12,20H,7-10H2,(H,23,24)/b19-12+