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

Systemtic Name: carboxy-[[5-nitro-2-[(phenylmethyl)amino]phenyl]methyl]carbamic acid Openeye Name: [2-(benzylamino)-5-nitro-phenyl]methyl-carboxy-carbamic acid CAS Name: carboxy-[[5-nitro-2-[(phenylmethyl)amino]phenyl]methyl]carbamic acid IUPAC Name: [2-(benzylamino)-5-nitrophenyl]methyl-carboxycarbamic acid Traditional Name: [2-(benzylamino)-5-nitro-benzyl]-carboxy-carbamic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])CN(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])CN(C(=O)O)C(=O)O

InChI

InChI=1S/C16H15N3O6/c20-15(21)18(16(22)23)10-12-8-13(19(24)25)6-7-14(12)17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,20,21)(H,22,23)