3-(4-nitrophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Openeye Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-nitrophenyl)propanoic acid CAS Name: 3-(4-nitrophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Traditional Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-nitrophenyl)propionic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-3-9-17-11-14(16(20)21)15(18-10-4-2)12-5-7-13(8-6-12)19(22)23/h3-8,14-15,17-18H,1-2,9-11H2,(H,20,21)