2-[(2Z)-6-[bis(azanyl)methylidene]-2-(4-carbamimidoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[(2Z)-6-[bis(azanyl)methylidene]-2-(4-carbamimidoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[(2Z)-2-(4-carbamimidoyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(diaminomethylene)-1H-indol-3-yl]acetic acid CAS Name: 2-[(2Z)-2-(4-carbamimidoyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(diaminomethylidene)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[(2Z)-2-(4-carbamimidoyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-(diaminomethylidene)-1H-indol-3-yl]acetic acid Traditional Name: 2-[(2Z)-2-(4-amidino-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(diaminomethylene)-1H-indol-3-yl]acetic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C3C=CC(=C(N)N)C=C3N2)CC(=O)O)C(=O)C=C1C(=N)N

Isomeric SMILES

C1=C/C(=C/2\C(=C3C=CC(=C(N)N)C=C3N2)CC(=O)O)/C(=O)C=C1C(=N)N

InChI

InChI=1S/C18H17N5O3/c19-17(20)8-1-3-10-12(7-15(25)26)16(23-13(10)5-8)11-4-2-9(18(21)22)6-14(11)24/h1-6,23H,7,19-20H2,(H3,21,22)(H,25,26)/b16-11-