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

Systemtic Name: 3-[2-[1-methyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(2,5-diketo-1-methyl-7-nitro-3H-1,4-benzodiazepin-4-yl)acetyl]amino]propionic acid Formula: C15H16N4O7 MolecularWeight: 364.31014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O7/c1-17-11-3-2-9(19(25)26)6-10(11)15(24)18(8-13(17)21)7-12(20)16-5-4-14(22)23/h2-3,6H,4-5,7-8H2,1H3,(H,16,20)(H,22,23)