[[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl 4-phenylbenzoate

Systemtic Name: [[(E)-1-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-2-nitro-ethenyl]-methyl-carbamoyl]oxymethyl 4-phenylbenzoate Openeye Name: [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [[[(E)-1-[(6-chloro-3-pyridinyl)methyl-ethylamino]-2-nitroethenyl]-methylamino]-oxomethoxy]methyl ester IUPAC Name: [[(E)-1-[(6-chloropyridin-3-yl)methyl-ethylamino]-2-nitroethenyl]-methylcarbamoyl]oxymethyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [[(E)-1-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-2-nitro-vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C26H25ClN4O6 MolecularWeight: 524.9529

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])N(C)C(=O)OCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CN=C(C=C1)Cl)/C(=C\[N+](=O)[O-])/N(C)C(=O)OCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H25ClN4O6/c1-3-30(16-19-9-14-23(27)28-15-19)24(17-31(34)35)29(2)26(33)37-18-36-25(32)22-12-10-21(11-13-22)20-7-5-4-6-8-20/h4-15,17H,3,16,18H2,1-2H3/b24-17-