tert-butyl 3-carbamimidoyl-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: tert-butyl 3-carbamimidoyl-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: tert-butyl 3-carbamimidoyl-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 3-carbamimidoyl-4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamimidoyl-4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 3-amidino-4-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoic acid tert-butyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C=CC(=O)OC)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)/C=C/C(=O)OC)C(=N)N

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)11-6-5-10(7-8-13(19)21-4)12(9-11)14(17)18/h5-9H,1-4H3,(H3,17,18)/b8-7+