1-(3,5-dinitrophenyl)ethanone; ethyl 4-azanylbenzoate

Systemtic Name: 1-(3,5-dinitrophenyl)ethanone; ethyl 4-azanylbenzoate Openeye Name: 1-(3,5-dinitrophenyl)ethanone; ethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid ethyl ester; 1-(3,5-dinitrophenyl)ethanone IUPAC Name: 1-(3,5-dinitrophenyl)ethanone; ethyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid ethyl ester; 1-(3,5-dinitrophenyl)ethanone Formula: C17H17N3O7 MolecularWeight: 375.33278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11NO2.C8H6N2O5/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h3-6H,2,10H2,1H3;2-4H,1H3