(phenylmethyl) 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: benzyl 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]butyric acid benzyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCNC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H25N3O6/c31-25(36-19-20-9-3-1-4-10-20)15-8-16-28-27(33)24(29-26(32)22-12-5-2-6-13-22)18-21-11-7-14-23(17-21)30(34)35/h1-7,9-14,17-18H,8,15-16,19H2,(H,28,33)(H,29,32)/b24-18-