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

Systemtic Name: methyl 3-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 3-[3-chloro-4-(cyclohexylamino)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

InChI

InChI=1S/C18H19ClN2O4/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/h5-6,9-10,12,20H,2-4,7-8H2,1H3