methyl 3-[3-chloranyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 3-[3-chloranyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-(3-anilino-4-chloro-2,5-dioxo-pyrrol-1-yl)benzoate CAS Name: 3-(3-anilino-4-chloro-2,5-dioxo-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-anilino-4-chloro-2,5-dioxopyrrol-1-yl)benzoate Traditional Name: 3-(3-anilino-4-chloro-2,5-diketo-3-pyrrolin-1-yl)benzoic acid methyl ester Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3

InChI

InChI=1S/C18H13ClN2O4/c1-25-18(24)11-6-5-9-13(10-11)21-16(22)14(19)15(17(21)23)20-12-7-3-2-4-8-12/h2-10,20H,1H3