methyl 2-[3-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[3-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[3-[(E)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[3-[(E)-3-(hydroxyamino)-3-keto-prop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)C=CC(=O)NO

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)/C=C/C(=O)NO

InChI

InChI=1S/C18H15N3O4/c1-25-18(23)13-6-7-14-15(10-13)20-17(19-14)12-4-2-3-11(9-12)5-8-16(22)21-24/h2-10,24H,1H3,(H,19,20)(H,21,22)/b8-5+