methyl 4-[(2E)-2-(4-aminocarbonyl-5-azanyl-imidazol-2-ylidene)hydrazinyl]benzoate

Systemtic Name: methyl 4-[(2E)-2-(4-aminocarbonyl-5-azanyl-imidazol-2-ylidene)hydrazinyl]benzoate Openeye Name: methyl 4-[(2E)-2-(4-amino-5-carbamoyl-imidazol-2-ylidene)hydrazino]benzoate CAS Name: 4-[(2E)-2-(4-amino-5-carbamoyl-2-imidazolylidene)hydrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2E)-2-(4-amino-5-carbamoylimidazol-2-ylidene)hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-(4-amino-5-carbamoyl-imidazol-2-ylidene)hydrazino]benzoic acid methyl ester Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NN=C2N=C(C(=N2)N)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N/N=C/2\N=C(C(=N2)N)C(=O)N

InChI

InChI=1S/C12H12N6O3/c1-21-11(20)6-2-4-7(5-3-6)17-18-12-15-8(10(14)19)9(13)16-12/h2-5,17H,1H3,(H2,14,19)(H2,13,16,18)