4-methyl-7-nitro-1-(2-oxidanylidenepropyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one

Systemtic Name: 4-methyl-7-nitro-1-(2-oxidanylidenepropyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one Openeye Name: 1-acetonyl-4-methyl-7-nitro-4,5-dihydro-3H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-7-nitro-1-(2-oxopropyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-7-nitro-1-(2-oxopropyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one Traditional Name: 1-acetonyl-4-methyl-7-nitro-4,5-dihydro-3H-1,5-benzodiazepin-2-one Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=C(N1)C=C(C=C2)[N+](=O)[O-])CC(=O)C

Isomeric SMILES

CC1CC(=O)N(C2=C(N1)C=C(C=C2)[N+](=O)[O-])CC(=O)C

InChI

InChI=1S/C13H15N3O4/c1-8-5-13(18)15(7-9(2)17)12-4-3-10(16(19)20)6-11(12)14-8/h3-4,6,8,14H,5,7H2,1-2H3