2-[[(3-ethoxycarbonyl-6-nitro-4-oxidanylidene-1H-quinolin-8-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(3-ethoxycarbonyl-6-nitro-4-oxidanylidene-1H-quinolin-8-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(3-ethoxycarbonyl-6-nitro-4-oxo-1H-quinolin-8-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(3-ethoxycarbonyl-6-nitro-4-oxo-1H-quinolin-8-yl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(3-ethoxycarbonyl-6-nitro-4-oxo-1H-quinolin-8-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(3-carbethoxy-4-keto-6-nitro-1H-quinolin-8-yl)amino]methylene]malonic acid Formula: C16H13N3O9 MolecularWeight: 391.28912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)[N+](=O)[O-])NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)[N+](=O)[O-])NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H13N3O9/c1-2-28-16(25)9-5-18-12-8(13(9)20)3-7(19(26)27)4-11(12)17-6-10(14(21)22)15(23)24/h3-6,17H,2H2,1H3,(H,18,20)(H,21,22)(H,23,24)