[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C18H16ClN3O7S/c1-11-2-5-13(9-16(11)30(20,27)28)21-17(23)10-29-18(24)7-4-12-3-6-14(19)15(8-12)22(25)26/h2-9H,10H2,1H3,(H,21,23)(H2,20,27,28)/b7-4+