5-[[(4-methylphenyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[[(4-methylphenyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(4-methylanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(4-methylanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(4-methylanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 7-nitro-5-(p-toluidinomethyl)-1,4-dihydroquinoxaline-2,3-quinone Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4/c1-9-2-4-11(5-3-9)17-8-10-6-12(20(23)24)7-13-14(10)19-16(22)15(21)18-13/h2-7,17H,8H2,1H3,(H,18,21)(H,19,22)