3,5-dinitrobenzoic acid; 1-phenylethanamine

Systemtic Name: 3,5-dinitrobenzoic acid; 1-phenylethanamine Openeye Name: 3,5-dinitrobenzoic acid; 1-phenylethanamine CAS Name: 3,5-dinitrobenzoic acid; 1-phenylethanamine IUPAC Name: 3,5-dinitrobenzoic acid; 1-phenylethanamine Traditional Name: 3,5-dinitrobenzoic acid; 1-phenylethylamine Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N.C7H4N2O6/c1-7(9)8-5-3-2-4-6-8;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-7H,9H2,1H3;1-3H,(H,10,11)