(phenylmethyl) 3-azanyl-2-nitro-quinoline-4-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-2-nitro-quinoline-4-carboxylate Openeye Name: benzyl 3-amino-2-nitro-quinoline-4-carboxylate CAS Name: 3-amino-2-nitro-4-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-2-nitroquinoline-4-carboxylate Traditional Name: 3-amino-2-nitro-cinchoninic acid benzyl ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

InChI=1S/C17H13N3O4/c18-15-14(17(21)24-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-16(15)20(22)23/h1-9H,10,18H2