2-azanylethyl nitrate; 4-oxidanylidene-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 2-azanylethyl nitrate; 4-oxidanylidene-4-(4-phenylphenyl)butanoic acid Openeye Name: 2-aminoethyl nitrate; 4-oxo-4-(4-phenylphenyl)butanoic acid CAS Name: nitric acid 2-aminoethyl ester; 4-oxo-4-(4-phenylphenyl)butanoic acid IUPAC Name: 2-aminoethyl nitrate; 4-oxo-4-(4-phenylphenyl)butanoic acid Traditional Name: 4-keto-4-(4-phenylphenyl)butyric acid; nitric acid 2-aminoethyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O.C(CO[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O.C(CO[N+](=O)[O-])N

InChI

InChI=1S/C16H14O3.C2H6N2O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12;3-1-2-7-4(5)6/h1-9H,10-11H2,(H,18,19);1-3H2