methyl 3-[[2-[4-[bis(azanyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-1-methyl-6-oxidanylidene-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[4-[bis(azanyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-1-methyl-6-oxidanylidene-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[4-(diaminomethylene)cyclohexa-2,5-dien-1-ylidene]-1-methyl-6-oxo-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[4-(diaminomethylidene)-1-cyclohexa-2,5-dienylidene]-1-methyl-6-oxo-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-1-methyl-6-oxobenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(diaminomethylene)cyclohexa-2,5-dien-1-ylidene]-6-keto-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=O)C(=CC2=NC1=C3C=CC(=C(N)N)C=C3)C(=O)NCCC(=O)OC

Isomeric SMILES

CN1C2=CC(=O)C(=CC2=NC1=C3C=CC(=C(N)N)C=C3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C20H21N5O4/c1-25-15-10-16(26)13(20(28)23-8-7-17(27)29-2)9-14(15)24-19(25)12-5-3-11(4-6-12)18(21)22/h3-6,9-10H,7-8,21-22H2,1-2H3,(H,23,28)