[4-[(E)-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 3-methoxybenzoate

Systemtic Name: [4-[(E)-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 3-methoxybenzoate Openeye Name: [4-[(E)-[(5-amino-6-chloro-pyrimidin-4-yl)hydrazono]methyl]-2-methoxy-phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[(E)-[(5-amino-6-chloro-4-pyrimidinyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[(E)-[(5-amino-6-chloro-pyrimidin-4-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=C(C(=NC=N3)Cl)N)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC3=C(C(=NC=N3)Cl)N)OC

InChI

InChI=1S/C20H18ClN5O4/c1-28-14-5-3-4-13(9-14)20(27)30-15-7-6-12(8-16(15)29-2)10-25-26-19-17(22)18(21)23-11-24-19/h3-11H,22H2,1-2H3,(H,23,24,26)/b25-10+