methyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoate

Systemtic Name: methyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoate Openeye Name: methyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoate CAS Name: 2-[(3-cyano-2-cyclohepta[b]pyrrolyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoate Traditional Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoic acid methyl ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C3=CC=CC=CC3=N2)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C3=CC=CC=CC3=N2)C#N

InChI

InChI=1S/C18H13N3O2/c1-23-18(22)13-8-5-6-10-16(13)21-17-14(11-19)12-7-3-2-4-9-15(12)20-17/h2-10H,1H3,(H,20,21)