[2-(dimethylaminomethyl)-3-nitro-phenyl] 4-nitrobenzoate

Systemtic Name: [2-(dimethylaminomethyl)-3-nitro-phenyl] 4-nitrobenzoate Openeye Name: [2-(dimethylaminomethyl)-3-nitro-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(dimethylaminomethyl)-3-nitrophenyl] ester IUPAC Name: [2-(dimethylaminomethyl)-3-nitrophenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(dimethylaminomethyl)-3-nitro-phenyl] ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=C(C=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-17(2)10-13-14(19(23)24)4-3-5-15(13)25-16(20)11-6-8-12(9-7-11)18(21)22/h3-9H,10H2,1-2H3