3-(4-aminophenyl)-3-[[3,4-bis(oxidanylidene)-2-propan-2-yloxy-cyclobuten-1-yl]amino]propanoate

Systemtic Name: 3-(4-aminophenyl)-3-[[3,4-bis(oxidanylidene)-2-propan-2-yloxy-cyclobuten-1-yl]amino]propanoate Openeye Name: 3-(4-aminophenyl)-3-[(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)amino]propanoate CAS Name: 3-(4-aminophenyl)-3-[(3,4-dioxo-2-propan-2-yloxy-1-cyclobutenyl)amino]propanoate IUPAC Name: 3-(4-aminophenyl)-3-[(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)amino]propanoate Traditional Name: 3-(4-aminophenyl)-3-[(2-isopropoxy-3,4-diketo-cyclobuten-1-yl)amino]propionate Formula: C16H17N2O5- MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)NC(CC(=O)[O-])C2=CC=C(C=C2)N

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)NC(CC(=O)[O-])C2=CC=C(C=C2)N

InChI

InChI=1S/C16H18N2O5/c1-8(2)23-16-13(14(21)15(16)22)18-11(7-12(19)20)9-3-5-10(17)6-4-9/h3-6,8,11,18H,7,17H2,1-2H3,(H,19,20)/p-1