2-[(4-butoxyphenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoic acid

Systemtic Name: 2-[(4-butoxyphenyl)carbonylamino]-3-(3-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[(4-butoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[(4-butoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[(4-butoxybenzoyl)amino]-3-(3-nitrophenyl)acrylic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-2-3-11-28-17-9-7-15(8-10-17)19(23)21-18(20(24)25)13-14-5-4-6-16(12-14)22(26)27/h4-10,12-13H,2-3,11H2,1H3,(H,21,23)(H,24,25)