2-[[(6-ethyl-7-nitro-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-ethyl-7-nitro-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-ethyl-7-nitro-2H-1,4-benzoxazin-3-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-ethyl-7-nitro-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-ethyl-7-nitro-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-ethyl-7-nitro-2H-1,4-benzoxazin-3-yl)amino]methylene]malonic acid Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1[N+](=O)[O-])OCC(=N2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1[N+](=O)[O-])OCC(=N2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H13N3O7/c1-2-7-3-9-11(4-10(7)17(22)23)24-6-12(16-9)15-5-8(13(18)19)14(20)21/h3-5H,2,6H2,1H3,(H,15,16)(H,18,19)(H,20,21)