ethyl (E)-6-[[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-6-oxidanylidene-hex-2-enoate

Systemtic Name: ethyl (E)-6-[[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-6-oxidanylidene-hex-2-enoate Openeye Name: ethyl (E)-6-[[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]-3-methyl-6-oxo-hex-2-enoate CAS Name: (E)-6-[[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-3-methyl-6-oxo-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-[[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-3-methyl-6-oxohex-2-enoate Traditional Name: (E)-6-[[2-amino-2-keto-1-(4-nitrobenzyl)ethyl]amino]-6-keto-3-methyl-hex-2-enoic acid ethyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CCC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CCOC(=O)/C=C(\C)/CCC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H23N3O6/c1-3-27-17(23)10-12(2)4-9-16(22)20-15(18(19)24)11-13-5-7-14(8-6-13)21(25)26/h5-8,10,15H,3-4,9,11H2,1-2H3,(H2,19,24)(H,20,22)/b12-10+