methyl 3-nitro-5-(quinolin-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(quinolin-2-ylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(2-quinolylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(2-quinolinylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(quinolin-2-ylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(2-quinolylcarbamoyl)benzoic acid methyl ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c1-26-18(23)13-8-12(9-14(10-13)21(24)25)17(22)20-16-7-6-11-4-2-3-5-15(11)19-16/h2-10H,1H3,(H,19,20,22)