4,4-dimethyl-7-[(2-nitrophenyl)amino]-3,5-dihydroazepine-2,6-dione

Systemtic Name: 4,4-dimethyl-7-[(2-nitrophenyl)amino]-3,5-dihydroazepine-2,6-dione Openeye Name: 4,4-dimethyl-7-(2-nitroanilino)-3,5-dihydroazepine-2,6-dione CAS Name: 4,4-dimethyl-7-(2-nitroanilino)-3,5-dihydroazepine-2,6-dione IUPAC Name: 4,4-dimethyl-7-(2-nitroanilino)-3,5-dihydroazepine-2,6-dione Traditional Name: 4,4-dimethyl-7-(2-nitroanilino)-3,5-dihydroazepine-2,6-quinone Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=NC(=O)C1)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(=NC(=O)C1)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C14H15N3O4/c1-14(2)7-11(18)13(16-12(19)8-14)15-9-5-3-4-6-10(9)17(20)21/h3-6H,7-8H2,1-2H3,(H,15,16,19)