carboxy-[[2-[ethanoyl(methyl)amino]-5-nitro-phenyl]methyl]carbamic acid

Systemtic Name: carboxy-[[2-[ethanoyl(methyl)amino]-5-nitro-phenyl]methyl]carbamic acid Openeye Name: [2-[acetyl(methyl)amino]-5-nitro-phenyl]methyl-carboxy-carbamic acid CAS Name: [2-[acetyl(methyl)amino]-5-nitrophenyl]methyl-carboxycarbamic acid IUPAC Name: [2-[acetyl(methyl)amino]-5-nitrophenyl]methyl-carboxycarbamic acid Traditional Name: [2-[acetyl(methyl)amino]-5-nitro-benzyl]-carboxy-carbamic acid Formula: C12H13N3O7 MolecularWeight: 311.24752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O7/c1-7(16)13(2)10-4-3-9(15(21)22)5-8(10)6-14(11(17)18)12(19)20/h3-5H,6H2,1-2H3,(H,17,18)(H,19,20)