[(Z)-[1-azanyl-5-[1-(phenylmethyl)piperidin-4-yl]pentylidene]amino] 4-nitrobenzoate

Systemtic Name: [(Z)-[1-azanyl-5-[1-(phenylmethyl)piperidin-4-yl]pentylidene]amino] 4-nitrobenzoate Openeye Name: [(Z)-[1-amino-5-(1-benzyl-4-piperidyl)pentylidene]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-[1-amino-5-[1-(phenylmethyl)-4-piperidinyl]pentylidene]amino] ester IUPAC Name: [(Z)-[1-amino-5-(1-benzylpiperidin-4-yl)pentylidene]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-[1-amino-5-(1-benzyl-4-piperidyl)pentylidene]amino] ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCCC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CCCC/C(=N/OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/N)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4/c25-23(26-32-24(29)21-10-12-22(13-11-21)28(30)31)9-5-4-6-19-14-16-27(17-15-19)18-20-7-2-1-3-8-20/h1-3,7-8,10-13,19H,4-6,9,14-18H2,(H2,25,26)