methyl 2-[2-azanylidene-3-[(E)-(4-nitrophenyl)methylideneamino]benzimidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[2-azanylidene-3-[(E)-(4-nitrophenyl)methylideneamino]benzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[2-imino-3-[(E)-(4-nitrophenyl)methyleneamino]benzimidazol-1-yl]acetate CAS Name: 2-[2-imino-3-[(E)-(4-nitrophenyl)methylideneamino]-1-benzimidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-imino-3-[(E)-(4-nitrophenyl)methylideneamino]benzimidazol-1-yl]acetate Traditional Name: 2-[2-imino-3-[(E)-(4-nitrobenzylidene)amino]benzimidazol-1-yl]acetic acid methyl ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2N(C1=N)N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2N(C1=N)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-26-16(23)11-20-14-4-2-3-5-15(14)21(17(20)18)19-10-12-6-8-13(9-7-12)22(24)25/h2-10,18H,11H2,1H3/b18-17?,19-10+