3-[(4-methoxy-3-nitro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-methoxy-3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)-(4-nitrobenzyl)amino]propionic acid Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-28-17-7-4-14(10-16(17)21(26)27)12-19(9-8-18(22)23)11-13-2-5-15(6-3-13)20(24)25/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)