[4-[(E)-N-[2-(benzotriazol-1-yl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl] ethanoate

Systemtic Name: [4-[(E)-N-[2-(benzotriazol-1-yl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl] ethanoate Openeye Name: [4-[(E)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl] acetate CAS Name: acetic acid [4-[(1E)-1-[[2-(1-benzotriazolyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C2=CC=CC=C2N=N1)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

C/C(=N\NC(=O)CN1C2=CC=CC=C2N=N1)/C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C18H17N5O3/c1-12(14-7-9-15(10-8-14)26-13(2)24)19-21-18(25)11-23-17-6-4-3-5-16(17)20-22-23/h3-10H,11H2,1-2H3,(H,21,25)/b19-12+