2-[(2-methyl-6-nitro-phenyl)methyl]butanedioic acid

Systemtic Name: 2-[(2-methyl-6-nitro-phenyl)methyl]butanedioic acid Openeye Name: 2-[(2-methyl-6-nitro-phenyl)methyl]butanedioic acid CAS Name: 2-[(2-methyl-6-nitrophenyl)methyl]butanedioic acid IUPAC Name: 2-[(2-methyl-6-nitrophenyl)methyl]butanedioic acid Traditional Name: 2-(2-methyl-6-nitro-benzyl)succinic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-7-3-2-4-10(13(18)19)9(7)5-8(12(16)17)6-11(14)15/h2-4,8H,5-6H2,1H3,(H,14,15)(H,16,17)