6-chloranyl-2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[(2-methoxy-2-oxo-ethyl)amino]-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-[(2-methoxy-2-oxoethyl)amino]-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-[(2-methoxy-2-oxoethyl)amino]-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-[(2-keto-2-methoxy-ethyl)amino]-4-(p-tolyl)isoquinoline-3-carboxylic acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NCC(=O)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NCC(=O)OC)C(=O)O

InChI

InChI=1S/C20H17ClN2O5/c1-11-3-5-12(6-4-11)17-15-9-13(21)7-8-14(15)19(25)23(18(17)20(26)27)22-10-16(24)28-2/h3-9,22H,10H2,1-2H3,(H,26,27)