[1-(dimethylaminomethyl)naphthalen-2-yl] 4-nitrobenzoate chloride

Systemtic Name: [1-(dimethylaminomethyl)naphthalen-2-yl] 4-nitrobenzoate chloride Openeye Name: [1-(dimethylaminomethyl)-2-naphthyl] 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid [1-(dimethylaminomethyl)-2-naphthalenyl] ester chloride IUPAC Name: [1-(dimethylaminomethyl)naphthalen-2-yl] 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid [1-(dimethylaminomethyl)-2-naphthyl] ester chloride Formula: C20H18ClN2O4- MolecularWeight: 385.82092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN(C)CC1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H18N2O4.ClH/c1-21(2)13-18-17-6-4-3-5-14(17)9-12-19(18)26-20(23)15-7-10-16(11-8-15)22(24)25;/h3-12H,13H2,1-2H3;1H/p-1