3-chloranyl-2-nitro-benzoic acid; 1-methyl-2,4-dinitro-benzene

Systemtic Name: 3-chloranyl-2-nitro-benzoic acid; 1-methyl-2,4-dinitro-benzene Openeye Name: 3-chloro-2-nitro-benzoic acid; 1-methyl-2,4-dinitro-benzene CAS Name: 3-chloro-2-nitrobenzoic acid; 1-methyl-2,4-dinitrobenzene IUPAC Name: 3-chloro-2-nitrobenzoic acid; 1-methyl-2,4-dinitrobenzene Traditional Name: 3-chloro-2-nitro-benzoic acid; 1-methyl-2,4-dinitro-benzene Formula: C14H10ClN3O8 MolecularWeight: 383.6975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4ClNO4.C7H6N2O4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13;1-5-2-3-6(8(10)11)4-7(5)9(12)13/h1-3H,(H,10,11);2-4H,1H3