3-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-(3-nitrophenyl)acryloyl]amino]propionate Formula: C23H24N3O7- MolecularWeight: 454.45256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCC(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C23H25N3O7/c1-2-3-13-33-19-9-7-17(8-10-19)22(29)25-20(23(30)24-12-11-21(27)28)15-16-5-4-6-18(14-16)26(31)32/h4-10,14-15H,2-3,11-13H2,1H3,(H,24,30)(H,25,29)(H,27,28)/p-1/b20-15+