2-[1-methyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetic acid CAS Name: 2-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetic acid IUPAC Name: 2-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetic acid Traditional Name: 2-(2,5-diketo-1-methyl-7-nitro-3H-1,4-benzodiazepin-4-yl)acetic acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H11N3O6/c1-13-9-3-2-7(15(20)21)4-8(9)12(19)14(5-10(13)16)6-11(17)18/h2-4H,5-6H2,1H3,(H,17,18)