(3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O4/c1-10-12-4-2-3-5-14(12)21-15(17(10)19)9-26-18(23)11-6-7-13(20)16(8-11)22(24)25/h2-8H,9,20H2,1H3