ethyl 4-[[3-(1-methylpiperidin-3-yl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: ethyl 4-[[3-(1-methylpiperidin-3-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: ethyl 4-[3-(1-methyl-3-piperidyl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(1-methyl-3-piperidinyl)anilino]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-methylpiperidin-3-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(1-methyl-3-piperidyl)anilino]-3-nitro-benzoic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3CCCN(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3CCCN(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-3-28-21(25)16-9-10-19(20(13-16)24(26)27)22-18-8-4-6-15(12-18)17-7-5-11-23(2)14-17/h4,6,8-10,12-13,17,22H,3,5,7,11,14H2,1-2H3