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

Systemtic Name: carboxy-[[2-(ethylamino)-5-nitro-phenyl]methyl]carbamic acid Openeye Name: carboxy-[[2-(ethylamino)-5-nitro-phenyl]methyl]carbamic acid CAS Name: carboxy-[[2-(ethylamino)-5-nitrophenyl]methyl]carbamic acid IUPAC Name: carboxy-[[2-(ethylamino)-5-nitrophenyl]methyl]carbamic acid Traditional Name: carboxy-[2-(ethylamino)-5-nitro-benzyl]carbamic acid Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)[N+](=O)[O-])CN(C(=O)O)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)[N+](=O)[O-])CN(C(=O)O)C(=O)O

InChI

InChI=1S/C11H13N3O6/c1-2-12-9-4-3-8(14(19)20)5-7(9)6-13(10(15)16)11(17)18/h3-5,12H,2,6H2,1H3,(H,15,16)(H,17,18)