2,4-dinitrobenzoic acid; 2-methyl-1H-indole

Systemtic Name: 2,4-dinitrobenzoic acid; 2-methyl-1H-indole Openeye Name: 2,4-dinitrobenzoic acid; 2-methyl-1H-indole CAS Name: 2,4-dinitrobenzoic acid; 2-methyl-1H-indole IUPAC Name: 2,4-dinitrobenzoic acid; 2-methyl-1H-indole Traditional Name: 2,4-dinitrobenzoic acid; 2-methyl-1H-indole Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2N1.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H9N.C7H4N2O6/c1-7-6-8-4-2-3-5-9(8)10-7;10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h2-6,10H,1H3;1-3H,(H,10,11)