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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]propionic acid methyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-27-19(24)17(9-12-10-20-16-5-3-2-4-15(12)16)21-11-13-8-14(22(25)26)6-7-18(13)23/h2-8,10-11,17,20-21H,9H2,1H3/t17-/m0/s1