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

Systemtic Name: ethyl 3-nitro-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(3-pyrrolidinoquinoxalin-2-yl)carbamoyl]benzoic acid ethyl ester Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-2-32-22(29)15-11-14(12-16(13-15)27(30)31)21(28)25-19-20(26-9-5-6-10-26)24-18-8-4-3-7-17(18)23-19/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,23,25,28)