methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid methyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5/c1-3-25-11-13-26(14-12-25)21-9-8-18(23(29)32-2)16-20(21)24-22(28)10-7-17-5-4-6-19(15-17)27(30)31/h4-10,15-16H,3,11-14H2,1-2H3,(H,24,28)/b10-7+