5-(methylcarbamoyl)-8-nitro-3-phenyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid

Systemtic Name: 5-(methylcarbamoyl)-8-nitro-3-phenyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 5-(methylcarbamoyl)-8-nitro-3-phenyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 5-(methylcarbamoyl)-8-nitro-3-phenyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 5-(methylcarbamoyl)-8-nitro-3-phenyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 5-(methylcarbamoyl)-8-nitro-3-phenyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CNC(=O)C1(CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N4O5/c1-22-19(26)21(20(27)28)12-14-11-16(25(29)30)7-8-17(14)24-10-9-23(13-18(21)24)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,26)(H,27,28)