5-[[4-methoxy-3-(phenylmethyl)phenyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[4-methoxy-3-(phenylmethyl)phenyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[(3-benzyl-4-methoxy-phenyl)carbamoyl]-2-nitro-phenolate CAS Name: 5-[[4-methoxy-3-(phenylmethyl)anilino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[(3-benzyl-4-methoxyphenyl)carbamoyl]-2-nitrophenolate Traditional Name: 5-[(3-benzyl-4-methoxy-phenyl)carbamoyl]-2-nitro-phenolate Formula: C21H17N2O5- MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5/c1-28-20-10-8-17(12-16(20)11-14-5-3-2-4-6-14)22-21(25)15-7-9-18(23(26)27)19(24)13-15/h2-10,12-13,24H,11H2,1H3,(H,22,25)/p-1