5-[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[methyl-[[4-(1-piperidyl)phenyl]methyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[methyl-[(4-piperidin-1-ylphenyl)methyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[methyl-(4-piperidinobenzyl)carbamoyl]-2-nitro-phenolate Formula: C20H22N3O4- MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H23N3O4/c1-21(20(25)16-7-10-18(23(26)27)19(24)13-16)14-15-5-8-17(9-6-15)22-11-3-2-4-12-22/h5-10,13,24H,2-4,11-12,14H2,1H3/p-1