methyl (E)-3-[4-[(2-chlorophenyl)carbamoylamino]-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[(2-chlorophenyl)carbamoylamino]-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[(2-chlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(2-chloroanilino)-oxomethyl]amino]-3-(2H-tetrazol-5-yl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[(2-chlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(2-chlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]acrylic acid methyl ester Formula: C18H15ClN6O3 MolecularWeight: 398.8031

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2Cl)C3=NNN=N3

Isomeric SMILES

COC(=O)/C=C/C1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2Cl)C3=NNN=N3

InChI

InChI=1S/C18H15ClN6O3/c1-28-16(26)9-7-11-6-8-14(12(10-11)17-22-24-25-23-17)20-18(27)21-15-5-3-2-4-13(15)19/h2-10H,1H3,(H2,20,21,27)(H,22,23,24,25)/b9-7+