ethyl 4-[1-[4-(C-ethoxycarbonimidoyl)phenyl]-1,2,3-triazol-4-yl]-3-methoxy-benzenecarboximidate

Systemtic Name: ethyl 4-[1-[4-(C-ethoxycarbonimidoyl)phenyl]-1,2,3-triazol-4-yl]-3-methoxy-benzenecarboximidate Openeye Name: ethyl 4-[1-[4-(ethoxycarbonimidoyl)phenyl]triazol-4-yl]-3-methoxy-benzenecarboximidate CAS Name: 4-[1-[4-[ethoxy(imino)methyl]phenyl]-4-triazolyl]-3-methoxybenzenecarboximidic acid ethyl ester IUPAC Name: ethyl 4-[1-[4-(C-ethoxycarbonimidoyl)phenyl]triazol-4-yl]-3-methoxybenzenecarboximidate Traditional Name: 4-[1-[4-(ethoxycarbonimidoyl)phenyl]triazol-4-yl]-3-methoxy-benzenecarboximidic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC=C(C=C1)N2C=C(N=N2)C3=C(C=C(C=C3)C(=N)OCC)OC

Isomeric SMILES

CCOC(=N)C1=CC=C(C=C1)N2C=C(N=N2)C3=C(C=C(C=C3)C(=N)OCC)OC

InChI

InChI=1S/C21H23N5O3/c1-4-28-20(22)14-6-9-16(10-7-14)26-13-18(24-25-26)17-11-8-15(12-19(17)27-3)21(23)29-5-2/h6-13,22-23H,4-5H2,1-3H3