methyl 2-[[2-nitro-4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-nitro-4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]amino]ethanoate Openeye Name: methyl 2-[2-nitro-4-(4,5,6,7-tetrahydroisoindol-2-yl)anilino]acetate CAS Name: 2-[2-nitro-4-(4,5,6,7-tetrahydroisoindol-2-yl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-[2-nitro-4-(4,5,6,7-tetrahydroisoindol-2-yl)anilino]acetate Traditional Name: 2-[2-nitro-4-(4,5,6,7-tetrahydroisoindol-2-yl)anilino]acetic acid methyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=C(C=C(C=C1)N2C=C3CCCCC3=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC1=C(C=C(C=C1)N2C=C3CCCCC3=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-24-17(21)9-18-15-7-6-14(8-16(15)20(22)23)19-10-12-4-2-3-5-13(12)11-19/h6-8,10-11,18H,2-5,9H2,1H3