methyl (2S)-2-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C=C(C=CC3=O)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC=C3C=C(C=CC3=O)Cl

InChI

InChI=1S/C19H17ClN2O3/c1-25-19(24)17(22-11-13-8-14(20)6-7-18(13)23)9-12-10-21-16-5-3-2-4-15(12)16/h2-8,10-11,17,21-22H,9H2,1H3/t17-/m0/s1