4-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[methyl-(4-nitrobenzyl)amino]ethyl]pyrocatechol Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-17(9-8-12-4-7-15(19)16(20)10-12)11-13-2-5-14(6-3-13)18(21)22/h2-7,10,19-20H,8-9,11H2,1H3