methyl 2-[(2-cyano-1-benzofuran-3-yl)methyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: methyl 2-[(2-cyano-1-benzofuran-3-yl)methyl-(3-nitrophenyl)amino]ethanoate Openeye Name: methyl 2-[N-[(2-cyanobenzofuran-3-yl)methyl]-3-nitro-anilino]acetate CAS Name: 2-[N-[(2-cyano-3-benzofuranyl)methyl]-3-nitroanilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-[(2-cyano-1-benzofuran-3-yl)methyl]-3-nitroanilino]acetate Traditional Name: 2-[N-[(2-cyanobenzofuran-3-yl)methyl]-3-nitro-anilino]acetic acid methyl ester Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=C(OC2=CC=CC=C21)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN(CC1=C(OC2=CC=CC=C21)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5/c1-26-19(23)12-21(13-5-4-6-14(9-13)22(24)25)11-16-15-7-2-3-8-17(15)27-18(16)10-20/h2-9H,11-12H2,1H3