ethyl (E)-3-[4-[3-(6-nitroindazol-1-yl)propanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[3-(6-nitroindazol-1-yl)propanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(6-nitroindazol-1-yl)propanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[3-(6-nitro-1-indazolyl)-1-oxopropyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(6-nitroindazol-1-yl)propanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(6-nitroindazol-1-yl)propanoylamino]phenyl]acrylic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C21H20N4O5/c1-2-30-21(27)10-5-15-3-7-17(8-4-15)23-20(26)11-12-24-19-13-18(25(28)29)9-6-16(19)14-22-24/h3-10,13-14H,2,11-12H2,1H3,(H,23,26)/b10-5+