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

Systemtic Name: 2-[7-nitro-2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-(7-nitro-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid CAS Name: 2-(7-nitro-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid IUPAC Name: 2-(7-nitro-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid Traditional Name: 2-(2,5-diketo-7-nitro-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid Formula: C11H9N3O6 MolecularWeight: 279.20566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(C(=O)N2)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(C(=O)N2)CC(=O)O

InChI

InChI=1S/C11H9N3O6/c15-9(16)4-8-11(18)12-7-2-1-5(14(19)20)3-6(7)10(17)13-8/h1-3,8H,4H2,(H,12,18)(H,13,17)(H,15,16)