methyl 2-[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(3-hydroxypropylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(3-hydroxypropylamino)-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-hydroxypropylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(3-hydroxypropylamino)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-26-18(23)14-6-3-2-5-13(14)17(22)12-7-8-15(19-9-4-10-21)16(11-12)20(24)25/h2-3,5-8,11,19,21H,4,9-10H2,1H3