methyl 4-[(E)-2-(4-azanyl-3-isocyano-phenyl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(4-azanyl-3-isocyano-phenyl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(4-amino-3-isocyano-phenyl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-amino-3-isocyanophenyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4-amino-3-isocyanophenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-amino-3-isocyano-phenyl)vinyl]benzoic acid methyl ester Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=CC(=C(C=C2)N)[N+]#[C-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)N)[N+]#[C-]

InChI

InChI=1S/C17H14N2O2/c1-19-16-11-13(7-10-15(16)18)4-3-12-5-8-14(9-6-12)17(20)21-2/h3-11H,18H2,2H3/b4-3+