methyl 2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]-3-nitro-benzoate Openeye Name: methyl 2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]-3-nitro-benzoate CAS Name: 2-[(5-cyano-2-benzo[b][1]benzoxepinyl)methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]-3-nitrobenzoate Traditional Name: 2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]-3-nitro-benzoic acid methyl ester Formula: C24H17N3O5 MolecularWeight: 427.40888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC3=C(C=C2)C(=CC4=CC=CC=C4O3)C#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC3=C(C=C2)C(=CC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C24H17N3O5/c1-31-24(28)19-6-4-7-20(27(29)30)23(19)26-14-15-9-10-18-17(13-25)12-16-5-2-3-8-21(16)32-22(18)11-15/h2-12,26H,14H2,1H3