[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H14ClN3O7S MolecularWeight: 475.85906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O7S/c21-12-3-6-16(15(9-12)24(28)29)31-13-4-1-11(2-5-13)20(27)30-10-17(25)23-19-14(18(22)26)7-8-32-19/h1-9H,10H2,(H2,22,26)(H,23,25)