ethyl (E)-7-azanyl-4-[(4-dimethylaminophenyl)carbonylamino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E)-7-azanyl-4-[(4-dimethylaminophenyl)carbonylamino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E)-7-amino-4-[[4-(dimethylamino)benzoyl]amino]-7-oxo-hept-2-enoate CAS Name: (E)-7-amino-4-[[(4-dimethylaminophenyl)-oxomethyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-amino-4-[[4-(dimethylamino)benzoyl]amino]-7-oxohept-2-enoate Traditional Name: (E)-7-amino-4-[[4-(dimethylamino)benzoyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(CCC(=O)N)NC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C18H25N3O4/c1-4-25-17(23)12-8-14(7-11-16(19)22)20-18(24)13-5-9-15(10-6-13)21(2)3/h5-6,8-10,12,14H,4,7,11H2,1-3H3,(H2,19,22)(H,20,24)/b12-8+