methyl 2-[(2E)-6-[bis(azanyl)methylidene]-2-(4-carbamimidoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-indol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2E)-6-[bis(azanyl)methylidene]-2-(4-carbamimidoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-indol-3-yl]ethanoate Openeye Name: methyl 2-[(2E)-2-(4-carbamimidoyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(diaminomethylene)-1H-indol-3-yl]acetate CAS Name: 2-[(2E)-2-(4-carbamimidoyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(diaminomethylidene)-1H-indol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2E)-2-(4-carbamimidoyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-(diaminomethylidene)-1H-indol-3-yl]acetate Traditional Name: 2-[(2E)-2-(4-amidino-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(diaminomethylene)-1H-indol-3-yl]acetic acid methyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C2C=CC(=C(N)N)C=C2NC1=C3C=CC(=CC3=O)C(=N)N

Isomeric SMILES

COC(=O)CC\1=C2C=CC(=C(N)N)C=C2N/C1=C/3\C=CC(=CC3=O)C(=N)N

InChI

InChI=1S/C19H19N5O3/c1-27-16(26)8-13-11-4-2-9(18(20)21)6-14(11)24-17(13)12-5-3-10(19(22)23)7-15(12)25/h2-7,24H,8,20-21H2,1H3,(H3,22,23)/b17-12+