[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C18H16ClN3O7S MolecularWeight: 453.85354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C18H16ClN3O7S/c19-15-7-3-12(9-16(15)22(25)26)4-8-18(24)29-11-17(23)21-10-13-1-5-14(6-2-13)30(20,27)28/h1-9H,10-11H2,(H,21,23)(H2,20,27,28)/b8-4+