[(Z)-[1-azanyl-3-(4-chlorophenyl)sulfonyl-propylidene]amino] 4-nitrobenzoate

Systemtic Name: [(Z)-[1-azanyl-3-(4-chlorophenyl)sulfonyl-propylidene]amino] 4-nitrobenzoate Openeye Name: [(Z)-[1-amino-3-(4-chlorophenyl)sulfonyl-propylidene]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] ester IUPAC Name: [(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-[1-amino-3-(4-chlorophenyl)sulfonyl-propylidene]amino] ester Formula: C16H14ClN3O6S MolecularWeight: 411.81686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)ON=C(CCS(=O)(=O)C2=CC=C(C=C2)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O/N=C(/CCS(=O)(=O)C2=CC=C(C=C2)Cl)\N)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O6S/c17-12-3-7-14(8-4-12)27(24,25)10-9-15(18)19-26-16(21)11-1-5-13(6-2-11)20(22)23/h1-8H,9-10H2,(H2,18,19)