7-[4-(2-methoxyphenyl)piperazin-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-(2-methoxyphenyl)piperazin-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-(2-methoxyphenyl)piperazin-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-(2-methoxyphenyl)-1-piperazinyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-(2-methoxyphenyl)piperazin-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-7-[4-(2-methoxyphenyl)piperazino]-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6/c1-31-17-5-3-2-4-14(17)23-6-8-24(9-7-23)15-10-12-13(11-16(15)25(29)30)22-19(26)18(21-12)20(27)28/h2-5,10-11H,6-9H2,1H3,(H,22,26)(H,27,28)