ethyl 3-nitro-5-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(1-phenyl-3-pyrrolidinyl)methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-2-29-21(26)17-10-16(11-19(12-17)24(27)28)20(25)22-13-15-8-9-23(14-15)18-6-4-3-5-7-18/h3-7,10-12,15H,2,8-9,13-14H2,1H3,(H,22,25)