(E)-3-[3-nitro-4-[propan-2-yl(propyl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-nitro-4-[propan-2-yl(propyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[isopropyl(propyl)amino]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-nitro-4-[propan-2-yl(propyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-nitro-4-[propan-2-yl(propyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[isopropyl(propyl)amino]-3-nitro-phenyl]acrylic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)C=CC(=O)O)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)/C=C/C(=O)O)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C15H20N2O4/c1-4-9-16(11(2)3)13-7-5-12(6-8-15(18)19)10-14(13)17(20)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,19)/b8-6+