ethyl 3-[(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-carbamoyl-2-(1-pyrrolidinyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-carbamoyl-2-pyrrolidino-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-2-31-21(28)15-9-14(10-16(11-15)25(29)30)20(27)23-17-12-13(19(22)26)5-6-18(17)24-7-3-4-8-24/h5-6,9-12H,2-4,7-8H2,1H3,(H2,22,26)(H,23,27)