(3-methylquinoxalin-2-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H20N4O4/c1-14-19(23-18-7-3-2-6-17(18)22-14)13-29-21(26)16-12-15(25(27)28)8-9-20(16)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3