(4-chloranyl-3-methyl-phenyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (4-chloro-3-methyl-phenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (4-chloro-3-methyl-phenyl) ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O4/c1-13-11-15(6-7-16(13)20)26-19(23)14-5-8-17(18(12-14)22(24)25)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3