methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitrophenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propionic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-29-18(26)9-8-13-4-7-15(10-17(13)25(27)28)20-23-11-16(24-20)12-2-5-14(6-3-12)19(21)22/h2-7,10-11H,8-9H2,1H3,(H3,21,22)(H,23,24)