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1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]pyrrole-3-carboxylic acid

1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]pyrrole-3-carboxylic acid

Systemtic Name:1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]pyrrole-3-carboxylic acid
Openeye Name:1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pyrrole-3-carboxylic acid
CAS Name:1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-3-pyrrolecarboxylic acid
IUPAC Name:1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pyrrole-3-carboxylic acid
Traditional Name:1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl]pyrrole-3-carboxylic acid
Formula: C14H10N4O6
MolecularWeight: 330.2524
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1C(=O)O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]


Isomeric SMILES

C1=CN(C=C1C(=O)O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]


InChI

InChI=1S/C14H10N4O6/c19-12-13(20)16-11-8(3-9(18(23)24)4-10(11)15-12)6-17-2-1-7(5-17)14(21)22/h1-5H,6H2,(H,15,19)(H,16,20)(H,21,22)


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