2-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,7a-dihydroindol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]ethanoate

Systemtic Name: 2-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,7a-dihydroindol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]ethanoate Openeye Name: 2-[(3E)-5-bromo-3-(5-carbamimidoyl-1,7a-dihydroindol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]acetate CAS Name: 2-[(3E)-5-bromo-3-(5-carbamimidoyl-1,7a-dihydroindol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]acetate IUPAC Name: 2-[(3E)-5-bromo-3-(5-carbamimidoyl-1,7a-dihydroindol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]acetate Traditional Name: 2-[(3E)-3-(5-amidino-1,7a-dihydroindol-2-ylidene)-5-bromo-4-keto-cyclohexa-1,5-dien-1-yl]acetate Formula: C17H13BrN3O3- MolecularWeight: 387.20742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C3C=C(C=C(C3=O)Br)CC(=O)[O-])NC21)C(=N)N

Isomeric SMILES

C1=CC(=CC2=C/C(=C\3/C=C(C=C(C3=O)Br)CC(=O)[O-])/NC21)C(=N)N

InChI

InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,13,21H,5H2,(H3,19,20)(H,22,23)/p-1/b14-11+