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

Systemtic Name: 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]indole-2-carboxylic acid Openeye Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]indole-2-carboxylic acid CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]indole-2-carboxylic acid Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl]indole-2-carboxylic acid Formula: C18H12N4O6 MolecularWeight: 380.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H12N4O6/c23-16-17(24)20-15-10(5-11(22(27)28)7-12(15)19-16)8-21-13-4-2-1-3-9(13)6-14(21)18(25)26/h1-7H,8H2,(H,19,23)(H,20,24)(H,25,26)