3-[(3Z)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 3-[(3Z)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3Z)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3Z)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3Z)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-bromo-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C17H15BrN4O3 MolecularWeight: 403.23

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)NC(=C3C=C(C=C(C3=O)Br)CCC(=O)O)N2

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)N/C(=C\3/C=C(C=C(C3=O)Br)CCC(=O)O)/N2

InChI

InChI=1S/C17H15BrN4O3/c18-11-6-8(1-4-14(23)24)5-10(15(11)25)17-21-12-3-2-9(16(19)20)7-13(12)22-17/h2-3,5-7,21-22H,1,4H2,(H3,19,20)(H,23,24)/b17-10-