methyl 5-nitro-2-[(1-phenylpyrrolidin-3-yl)methylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[(1-phenylpyrrolidin-3-yl)methylamino]benzoate Openeye Name: methyl 5-nitro-2-[(1-phenylpyrrolidin-3-yl)methylamino]benzoate CAS Name: 5-nitro-2-[(1-phenyl-3-pyrrolidinyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(1-phenylpyrrolidin-3-yl)methylamino]benzoate Traditional Name: 5-nitro-2-[(1-phenylpyrrolidin-3-yl)methylamino]benzoic acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2CCN(C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2CCN(C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c1-26-19(23)17-11-16(22(24)25)7-8-18(17)20-12-14-9-10-21(13-14)15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12-13H2,1H3