[(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino] 4-methylbenzoate

Systemtic Name: [(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino] 4-methylbenzoate Openeye Name: [(E)-[3-nitro-4-(1-piperidyl)phenyl]methyleneamino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-[3-nitro-4-(1-piperidinyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-(3-nitro-4-piperidino-benzylidene)amino] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-15-5-8-17(9-6-15)20(24)27-21-14-16-7-10-18(19(13-16)23(25)26)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3/b21-14+