[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C13H13ClN2O5/c1-8(2)5-13(18)21-7-12(17)15-9-3-4-10(14)11(6-9)16(19)20/h3-6H,7H2,1-2H3,(H,15,17)