methyl 2-nitro-3-[(4-piperidin-3-ylphenyl)iminomethyl]benzoate

Systemtic Name: methyl 2-nitro-3-[(4-piperidin-3-ylphenyl)iminomethyl]benzoate Openeye Name: methyl 2-nitro-3-[[4-(3-piperidyl)phenyl]iminomethyl]benzoate CAS Name: 2-nitro-3-[[4-(3-piperidinyl)phenyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-nitro-3-[(4-piperidin-3-ylphenyl)iminomethyl]benzoate Traditional Name: 2-nitro-3-[[4-(3-piperidyl)phenyl]iminomethyl]benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C=NC2=CC=C(C=C2)C3CCCNC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C=NC2=CC=C(C=C2)C3CCCNC3

InChI

InChI=1S/C20H21N3O4/c1-27-20(24)18-6-2-4-16(19(18)23(25)26)13-22-17-9-7-14(8-10-17)15-5-3-11-21-12-15/h2,4,6-10,13,15,21H,3,5,11-12H2,1H3