4-(2-azanylethyl)-3-[2-(3-nitrophenyl)ethyl]benzene-1,2-diol

Systemtic Name: 4-(2-azanylethyl)-3-[2-(3-nitrophenyl)ethyl]benzene-1,2-diol Openeye Name: 4-(2-aminoethyl)-3-[2-(3-nitrophenyl)ethyl]benzene-1,2-diol CAS Name: 4-(2-aminoethyl)-3-[2-(3-nitrophenyl)ethyl]benzene-1,2-diol IUPAC Name: 4-(2-aminoethyl)-3-[2-(3-nitrophenyl)ethyl]benzene-1,2-diol Traditional Name: 4-(2-aminoethyl)-3-[2-(3-nitrophenyl)ethyl]pyrocatechol Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CCC2=C(C=CC(=C2O)O)CCN

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CCC2=C(C=CC(=C2O)O)CCN

InChI

InChI=1S/C16H18N2O4/c17-9-8-12-5-7-15(19)16(20)14(12)6-4-11-2-1-3-13(10-11)18(21)22/h1-3,5,7,10,19-20H,4,6,8-9,17H2