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

Systemtic Name: methyl 3-nitro-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)carbamoyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-nitro-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(3-pyrrolidinoquinoxalin-2-yl)carbamoyl]benzoic acid methyl ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O5/c1-31-21(28)14-10-13(11-15(12-14)26(29)30)20(27)24-18-19(25-8-4-5-9-25)23-17-7-3-2-6-16(17)22-18/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,24,27)